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41X

Summary
Name:(2R)-2-[(R)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine
Synonyms:Reboxetine
Formula:C19 H23 N O3
Formal charge:0
Formula weight:313.391 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-[(R)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine
OpenEye OEToolkits1.9.2(2R)-2-[(R)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCOc1ccccc1OC(C2OCCNC2)c3ccccc3
InChIInChI1.03InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1
InChIKeyInChI1.03CBQGYUDMJHNJBX-RTBURBONSA-N
SMILES_CANONICALCACTVS3.385CCOc1ccccc1O[C@@H]([C@H]2CNCCO2)c3ccccc3
SMILESCACTVS3.385CCOc1ccccc1O[CH]([CH]2CNCCO2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.9.2CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNCCO3
SMILESOpenEye OEToolkits1.9.2CCOc1ccccc1OC(c2ccccc2)C3CNCCO3

218853

PDB entries from 2024-04-24

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